The effect of co-alloying elements on site preference and shear deformation resistance of γ′-Ni₃Al

Abstract

The site preference of co-alloying elements pair W-X (Cr, Mo, W, Re and Ru) in Ni₃Al system and the co-alloying elements pair strengthen the shear deformation resistance of Ni₃Al were investigated using the first principles density functional theory. It was found that the atom pair preferred Al-Al site. The shear resistance of Ni₃Al was significantly improved by alloying atom pairs, where W-Re and W-W were most beneficial for ideal shear strength, respectively. The result of electronic structure shown that the strong interaction between the alloy atoms and their common FNN Ni atoms was the strengthening mechanism.

Keywords:

• Ni₃Al
• co-alloying element
• shear deformation
• the first principles calculation

Funding

Thanks for the financial support from the National Science and Technology Major Project (2017-VI-0003-0073, 2017-VII-0008-0101), and the National Key Research and Development Program of China (2017YFB0701503).